| SpectraBase Spectrum ID |
eIinj00ORU |
| Name |
[2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.(2E,4S*,5R*)]]-9-[[3-methyl-1-oxo-4-[tetrahydro-3,4-dihydroxy-5-(5-hydroxy-4-methyl-2-hexenyl)-2H-pyran-2-yl]-2-butenyl]oxy]nonanoic acid methyl ester |
| Alternate Name(s) |
9-Methoxy-9-oxononyl (2E)-5,9-anhydro-2,3,4,8-tetradeoxy-8-[(2E)-5-hydroxy-4-methyl-2-hexenyl]-3-methyl-D-galacto-non-2-enonate |
| CAS Registry Number |
72042-22-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H46O8 |
| InChI |
InChI=1S/C27H46O8/c1-19(17-25(30)34-15-10-8-6-5-7-9-14-24(29)33-4)16-23-27(32)26(31)22(18-35-23)13-11-12-20(2)21(3)28/h11-12,17,20-23,26-28,31-32H,5-10,13-16,18H2,1-4H3/b12-11+,19-17+/t20?,21?,22-,23+,26+,27-/m1/s1 |
| InChIKey |
PVGLGATUBMQZCZ-IOFLODEXSA-N |
| Molecular Weight |
498.657 g/mol |
| SMILES |
O[C@]1([C@@](CO[C@]([C@]1(O)[H])(C\C(=C\C(=O)OCCCCCCCCC(=O)OC)C)[H])(C\C=C\C(C(O)C)C)[H])[H] |
| SPLASH |
splash10-00lr-9060000000-532045219e5b05d7ca4e |
| Source of Spectrum |
J-53-4294-51 |
| Wiley ID |
1398561 |
![[2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.(2E,4S*,5R*)]]-9-[[3-methyl-1-oxo-4-[tetrahydro-3,4-dihydroxy-5-(5-hydroxy-4-methyl-2-hexenyl)-2H-pyran-2-yl]-2-butenyl]oxy]nonanoic acid methyl ester](/api/spectrum/eIinj00ORU/structure.png?h=300&w=458 "[2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.(2E,4S*,5R*)]]-9-[[3-methyl-1-oxo-4-[tetrahydro-3,4-dihydroxy-5-(5-hydroxy-4-methyl-2-hexenyl)-2H-pyran-2-yl]-2-butenyl]oxy]nonanoic acid methyl ester")
